1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate

C15H19NO5 — CID 58371984

IUPAC1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate
SMILESCOC(=O)C1(OC)CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H19NO5/c1-19-13(17)15(20-2)8-9-16(11-15)14(18)21-10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyFYYYVSJBDFNSMQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.59
Rot. Bonds4

About 1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate

1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate (PubChem CID 58371984) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate
PubChem CID58371984
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate
SMILESCOC(=O)C1(OC)CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H19NO5/c1-19-13(17)15(20-2)8-9-16(11-15)14(18)21-10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyFYYYVSJBDFNSMQ-UHFFFAOYSA-N
XLogP1.59
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-benzyl 3-O-methyl (3S)-3-methylpyrrolidine-1,3-dicarboxylate
CID 97294876
1-O-benzyl 3-O-methyl (3S)-3-ethylpiperidine-1,3-dicarboxylate
CID 97103844
benzyl (3R)-1-oxa-6-azaspiro[2.4]heptane-6-carboxylate
CID 97169066
4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 70380008
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 130477377
benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 134177582
1-O-benzyl 3-O-ethyl (3S)-3-(hydroxymethyl)pyrrolidine-1,3-dicarboxylate
CID 155818759
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
1-O-benzyl 4-O-methyl 4-[(3-ethoxy-3-oxopropanoyl)amino]piperidine-1,4-dicarboxylate
CID 70987725

Frequently Asked Questions

What is the IUPAC name of 1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate?
The IUPAC name of 1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate (CID 58371984) is 1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate is COC(=O)C1(OC)CCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of 1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate?
The InChIKey is FYYYVSJBDFNSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-19-13(17)15(20-2)8-9-16(11-15)14(18)21-10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3.
What are the key properties of 1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate?
1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate has a molecular weight of 293.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate is sourced from PubChem (CID 58371984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).